6JF9

Apo crystal structure of class I type b peptide deformylase from Pseudomonas aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	C 2 2 21
Unit cell lengths	44.486, 122.045, 149.380
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.990 - 1.700
R-factor	0.2449
Rwork	0.243
R-free	0.28070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5vcp
RMSD bond length	0.020
RMSD bond angle	2.107
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.730
High resolution limit [Å]	1.700	4.610	1.700
Rmerge	0.103	0.074	0.420
Rmeas	0.108	0.077	0.437
Rpim	0.032	0.023	0.118
Number of reflections	41544	2029	2045
<I/σ(I)>	22.4
Completeness [%]	92.1	83.1	93
Redundancy	11.9	11.5	12.7
CC(1/2)		0.995	0.957

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	8	287	0.03 M CaCl2, 0.03 M MgCl2, 0.1 M Sodium Hepes: MOPS pH 8.0, 10.0% (v/v) MPD, 10.0% (w/v) P1k, 10.0% (w/v) PEG 3,350