6VW4

2.35 Angstrom structure of Caci_6494 from Catenulispora Acidiphila in complex with S-DNPA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-03-18
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	I 2 3
Unit cell lengths	161.240, 161.240, 161.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.007 - 2.350
R-factor	0.1994
Rwork	0.198
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6p77
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.830	2.430
High resolution limit [Å]	2.350	2.350
Rmeas	0.100	0.680
Number of reflections	29103	2846
<I/σ(I)>	11.4
Completeness [%]	99.9
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	298	1.47 M K2HPO4, 0.07 M NaH2PO4, 5% PEG 400, pH 8.3