1W3P

NimA from D. radiodurans with a His71-Pyruvate residue

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Spacegroup name	C 1 2 1
Unit cell lengths	99.940, 38.813, 60.058
Unit cell angles	90.00, 114.11, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.187
Rwork	0.185
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w3o
RMSD bond length	0.014
RMSD bond angle	1.451
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000
High resolution limit [Å]	1.800
Rmerge	0.090	0.090
Number of reflections	9530
<I/σ(I)>	9.8	1.7
Completeness [%]	99.0	99.5
Redundancy	2.7	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1