4MZT

MazF from S. aureus crystal form II, C2221, 2.3 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0394
Spacegroup name	C 2 2 21
Unit cell lengths	72.588, 92.007, 71.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 2.303
R-factor	0.198
Rwork	0.196
R-free	0.24820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mzm
RMSD bond length	0.009
RMSD bond angle	1.291
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4 ((Phaser))
Refinement software	PHENIX ((phenix.refine: 1.7.1_743))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.000
High resolution limit [Å]	2.300
Rmerge	0.137
Number of reflections	10915
<I/σ(I)>	11.2
Completeness [%]	99.8
Redundancy	5.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M Na-HEPES pH 7.5, 2.0 M NH4HCO2, VAPOR DIFFUSION, HANGING DROP, temperature 293K