5NMP

Isatin hydrolase A (IHA) from Ralstonia solanacearum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9762
Spacegroup name	P 32 2 1
Unit cell lengths	164.840, 164.840, 275.890
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	99.199 - 2.650
R-factor	0.1625
Rwork	0.161
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4j0n
RMSD bond length	0.008
RMSD bond angle	0.653
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	99.199	2.720
High resolution limit [Å]	2.650	2.650
Rmerge	0.093
Rpim	0.057	0.663
Number of reflections	125897	9226
<I/σ(I)>	15.6	1.5
Completeness [%]	95.1	99.4
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1 M succinate, 0.1 M HEPES